• Example saccharides
• Example non-saccharides
• RCSB Ligand Expo entries
• Saccharide entries in Ligand Expo
• Saccharide fingerprints

Submission ID: BWG
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.75

List of identified carbohydrate fragments:

• C₆H₁₁N₁O₅
  Fragment probability: 1.00
  Fragment mass: 178.16270000000006
  Fragment main chain atoms: [9, 8, 7, 5, 19, 10, 18, 30, 36, 17, 29, 35, 16, 28, 34]
  Fragment all atoms: [9, 8, 7, 5, 27, 3, 25, 26, 14, 33, 19, 10, 31, 13, 18, 30, 36, 17, 29, 35, 16, 28, 34]
  

• C₂H₃O₁
  Fragment probability: 0.62
  Fragment mass: 39.0558
  Fragment main chain atoms: [1, 4]
  Fragment all atoms: [1, 21, 22, 23, 4, 15]
  

Most similar ligands:

Citation:

• Hesam Dashti, William M. Westler, Jonathan R. Wedell, Olga V. Demler, Hamid R. Eghbalnia, John L. Markley & Samia Mora, Probabilistic identification of saccharide moieties in biomolecules and their protein complexes, Scientific Data volume 7, Article number: 210 (2020), https://doi.org/10.1038/s41597-020-0547-y, https://www.nature.com/articles/s41597-020-0547-y

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